Compound Detail
CHEMBL1172881
HAEMANTHIDINE Enter ChEMBL ID:
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CO[C@@H]1C=C[C@@]23c4cc5c(cc4[C@@H](O)N(C[C@H]2O)[C@H]3C1)OCO5
Basic Information
| ChEMBL ID | CHEMBL1172881 |
| Name | HAEMANTHIDINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSTPNQLNQBRLQF-QLNKUFCHSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
317.3
MW (Da)
0.68
ALogP
6
HBA
2
HBD
71.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| B16-F10 CHEMBL612656 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.43 | 5.4067 | 3700.0 | 3 |
| A549 CHEMBL392 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| SK-MEL CHEMBL614914 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1200.0 | nM | 5.92 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum F-32... | 22910226 |
| B16-F10 | IC50 | = | 3100.0 | nM | 5.51 | Cytotoxicity against mouse B16F10 cells after 72 hrs by MTT colorimetric assay | 20550100 |
| NON-PROTEIN TARGET | IC50 | = | 3700.0 | nM | 5.43 | Cytotoxicity against human OE21 cells after 72 hrs by MTT colorimetric assay | 20550100 |
| NON-PROTEIN TARGET | IC50 | = | 3800.0 | nM | 5.42 | Cytotoxicity against human U373 cells after 72 hrs by MTT colorimetric assay | 20550100 |
| A549 | IC50 | = | 4000.0 | nM | 5.4 | Cytotoxicity against human A549 cells after 72 hrs by MTT colorimetric assay | 20550100 |
| SK-MEL | IC50 | = | 4200.0 | nM | 5.38 | Cytotoxicity against human SK-MEL cells after 72 hrs by MTT colorimetric assay | 20550100 |
| NON-PROTEIN TARGET | IC50 | = | 4300.0 | nM | 5.37 | Cytotoxicity against human Hs683 cells after 72 hrs by MTT colorimetric assay | 20550100 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20550100 | 10.1021/np9008255 | NON-PROTEIN TARGET | 3 |
| 20550100 | 10.1021/np9008255 | A549 | 1 |
| 20550100 | 10.1021/np9008255 | SK-MEL | 1 |
| 20550100 | 10.1021/np9008255 | B16-F10 | 1 |
| 22910226 | 10.1016/j.bmc.2012.07.036 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine